SCHEMBL30197449

SCHEMBL30197449

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.44
▸ STAT3 P40763 7/20 0.42
▸ CTSD P07339 3/20 0.41
▸ CTSE P14091 3/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ NTSR2 O95665 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ NPY2R P49146 5/20 0.40
▸ NPY4R P50391 5/20 0.40
▸ NPY5R Q15761 5/20 0.40
▸ NPY1R P25929 4/20 0.40
▸ KDM1A O60341 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30286103 0.91 CAPN1 (0.43) CAPN1STAT3CTSDCTSEBACE1
SCHEMBL30539771 0.91 CTSD (0.42) CAPN1STAT3CTSDBACE1NTSR2
Larazotide SCHEMBL23668121 0.89 CAPN1 (0.43) CAPN1STAT3CTSDCTSEBACE1
Larazotide SCHEMBL23668120 0.89 CAPN1 (0.43) CAPN1STAT3CTSDCTSEBACE1
Larazotide SCHEMBL28795844 0.89 CAPN1 (0.43) CAPN1STAT3CTSDCTSEBACE1
Larazotide SCHEMBL29366234 0.88 CAPN1 (0.42) CAPN1STAT3CTSDCTSEBACE1
SCHEMBL31461934 0.86 CAPN1 (0.47) CAPN1STAT3NTSR2NTSR1NPY2R
SCHEMBL31461940 0.86 CAPN1 (0.47) CAPN1STAT3NTSR2NTSR1NPY2R
SCHEMBL31462120 0.85 NPY2R (0.46) CAPN1NTSR2NTSR1NPY2RNPY4R
SCHEMBL29692555 0.84 NTSR2 (0.40) CAPN1STAT3NTSR2NTSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218706-A1 LARAZOTIDE DERIVATIVES COMPRISING D-AMINO ACIDS INNOVATE BIOPHARMACEUTICALS, INC. 2023-07-13 — — US disclosed
CN-115916235-A Larzoledrine derivatives comprising D-amino acids 九米特生物制药有限公司 2023-04-04 — — CN disclosed
EP-4135737-A1 LARAZOTIDE DERIVATIVES COMPRISING D-AMINO ACIDS 9 Meters Biopharma, Inc. (US) 2023-02-22 — — EP disclosed
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